4-fluoranyl-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-fluoranyl-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 4-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 4-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 4-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 4-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzamide Formula: C20H25FN3O4S+ MolecularWeight: 422.493603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O4S/c1-28-18-6-8-19(9-7-18)29(26,27)24-14-12-23(13-15-24)11-10-22-20(25)16-2-4-17(21)5-3-16/h2-9H,10-15H2,1H3,(H,22,25)/p+1